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7WRX
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BU of 7wrx by Molmil
Structure of Deinococcus radiodurans HerA-ADP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, HerA, MAGNESIUM ION
著者Cheng, K.
登録日2022-01-27
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.40003562 Å)
主引用文献Structural and DNA end resection study of the bacterial NurA-HerA complex.
Bmc Biol., 21, 2023
7WRW
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BU of 7wrw by Molmil
Structure of Deinococcus radiodurans HerA
分子名称: HerA
著者Cheng, K.
登録日2022-01-27
公開日2023-02-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.00008273 Å)
主引用文献Structural and DNA end resection study of the bacterial NurA-HerA complex.
Bmc Biol., 21, 2023
6H1Q
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BU of 6h1q by Molmil
Proteus mirabilis Ambient Temperature Fimbriae adhesin AtfE
分子名称: Fimbrial adhesin, GLYCEROL, PHOSPHATE ION
著者Wangshu, J, Knight, S.D.
登録日2018-07-12
公開日2018-11-07
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structures of two fimbrial adhesins, AtfE and UcaD, from the uropathogen Proteus mirabilis.
Acta Crystallogr D Struct Biol, 74, 2018
4TOY
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BU of 4toy by Molmil
Structure of 35O22 Fab, a HIV-1 neutralizing antibody
分子名称: 35O22 Fab Heavy chain, 35O22 Fab Light chain
著者Pancera, M, Kwong, P.D.
登録日2014-06-06
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface.
Nature, 515, 2014
5X7U
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BU of 5x7u by Molmil
Trehalose synthase from Thermobaculum terrenum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Trehalose synthase
著者Su, J, Wang, F.
登録日2017-02-27
公開日2018-02-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural Characteristics and Function of a New Kind of Thermostable Trehalose Synthase from Thermobaculum terrenum.
J. Agric. Food Chem., 65, 2017
7V69
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BU of 7v69 by Molmil
Cryo-EM structure of a class A GPCR-G protein complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V6A
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Cry-EM structure of M4-c110-G protein complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V68
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An Agonist and PAM-bound Class A GPCR with Gi protein complex structure
分子名称: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
5I23
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BU of 5i23 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF022
分子名称: 1,2-ETHANEDIOL, 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium, Oligosaccharide 4-alpha-D-glucosyltransferase, ...
著者Wu, L, Davies, G.J.
登録日2016-02-08
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
6LVP
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BU of 6lvp by Molmil
Enoyl-CoA hydratase (HyECH) from Hymenobacter sp. PAMC 26628
分子名称: Enoyl-CoA hydratase
著者Hwang, J.S, Jung, C, Lee, C.W, Lee, J.H.
登録日2020-02-04
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural and sequence comparisons of bacterial enoyl-CoA isomerase and enoyl-CoA hydratase.
J.Microbiol, 58, 2020
5I24
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BU of 5i24 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021
分子名称: (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wu, L, Davies, G.J.
登録日2016-02-08
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
6S35
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BU of 6s35 by Molmil
LSD1/CoREST1 complex with macrocyclic peptide inhibitor
分子名称: ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Talibov, V.O, Dobritzsch, D.
登録日2019-06-24
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
8SE6
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BU of 8se6 by Molmil
NKG2D complexed with inhibitor 36
分子名称: N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ...
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2023-04-08
公開日2023-10-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
8SE5
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BU of 8se5 by Molmil
NKG2D complexed with inhibitor 14
分子名称: DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, ...
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2023-04-08
公開日2023-10-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
3K5V
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BU of 3k5v by Molmil
Structure of Abl kinase in complex with imatinib and GNF-2
分子名称: 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ...
著者Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A.
登録日2009-10-08
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors.
Nature, 463, 2010
5DFN
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BU of 5dfn by Molmil
Structure of Tetrahymena Telomerase P45 C-terminal domain
分子名称: Telomerase associated protein p45
著者Chan, H, Cascio, D, Sawaya, M.R, Feigon, J.
登録日2015-08-27
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
5DFM
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BU of 5dfm by Molmil
Structure of Tetrahymena telomerase p19 fused to MBP
分子名称: GLYCEROL, Maltose-binding periplasmic protein,Telomerase-associated protein 19, SULFATE ION, ...
著者Chan, H, Cascio, D, Sawaya, M.R, Feigon, J.
登録日2015-08-27
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
8TGP
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BU of 8tgp by Molmil
Crystal structure of SIRT2 with FAM-PEG4-H4K16(myristoyl) peptide
分子名称: H4K16(myristoyl) peptide, MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, ...
著者Nicely, N.I, Weiser, B.P.
登録日2023-07-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Effects of Dimerization on the Deacylase Activities of Human SIRT2.
Biochemistry, 62, 2023
5Y0A
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BU of 5y0a by Molmil
Cryo-EM structure of zika virus complexed with Fab of ZKA190 at pH 8.0 and 37 celsius degree
分子名称: protein E, variable region of Fab ZKA190 heavy chain, variable region of Fab ZKA190 light chain
著者Wang, J.Q, Lok, S.M.
登録日2017-07-15
公開日2017-10-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (22 Å)
主引用文献A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
3ILQ
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BU of 3ilq by Molmil
Structure of mCD1d with bound glycolipid BbGL-2c from Borrelia burgdorferi
分子名称: (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M.
登録日2009-08-07
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
3ILP
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Structure of mCD1d with bound glycolipid BbGL-2f from Borrelia burgdorferi
分子名称: (2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M.
登録日2009-08-07
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
7UUU
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First bromodomain of BRDT liganded with compound 2c
分子名称: 1,2-ETHANEDIOL, Bromodomain testis-specific protein, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
著者Schonbrunn, E, Chan, A.
登録日2022-04-29
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains.
Arch Pharm, 355, 2022
7UTY
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BU of 7uty by Molmil
First bromodomain of BRD4 liganded with compound 2c
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
著者Schonbrunn, E, Chan, A.
登録日2022-04-28
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains.
Arch Pharm, 355, 2022
5TUQ
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Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
著者Kirby, K.A, Sarafianos, S.G.
登録日2016-11-07
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
5WPA
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BU of 5wpa by Molmil
Structure of human SFPQ/PSPC1 heterodimer
分子名称: Paraspeckle component 1, Splicing factor, proline- and glutamine-rich
著者Lee, M.
登録日2017-08-04
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of a SFPQ/PSPC1 heterodimer provides insights into preferential heterodimerization of human DBHS family proteins.
J. Biol. Chem., 293, 2018

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